SCHEMBL30454780

SCHEMBL30454780

CN(C)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.46
CYP1A2 P05177 3/20 0.42
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.40
PDK2 Q15119 1/20 0.40
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1768874 1.00 ACP1 (0.46) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL6735075 0.82 MAPT (0.38) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL22651898 0.80 RORC (0.38) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL8979233 0.79 ALDH1A1 (0.38) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL5539229 0.79 ESR1 (0.39) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL17479870 0.79 HDAC6 (0.45) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL28122138 0.79 ESR1 (0.39) ACP1CYP1A2TSHRTDP1CYP3A4
SCHEMBL1201242 0.78 ALDH1A1 (0.46) ACP1TSHRTDP1MAPK1CLK4
SCHEMBL29987688 0.78 ALDH1A1 (0.46) ACP1TSHRTDP1MAPK1CLK4
SCHEMBL2093130 0.77 ESR1 (0.38) ACP1CYP1A2TSHRTDP1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386257-B Process for preparing enzalutamide using novel intermediates 阿尔第药物实验室有限公司 2024-05-24 CN claimed
CN-111386257-B Process for preparing enzalutamide using novel intermediates 阿尔第药物实验室有限公司 2024-05-24 CN disclosed
EP-3717457-B1 PROCESS FOR PREPARATION OF ENZALUTAMIDE USING NOVEL INTERMEDIATE AARTI INDUSTRIES LTD (IN) 2023-06-21 EP disclosed